Geometry & MOs

Info

ID:	21019
PubChem CID:	586784
Reduced:	ClOF3N5H11C16 (1)
Stoich.:	ABC3D5E11F16 (1)
Weight, g/mol:	381.060422
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	1.81
IP(EA), eV:	-9.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations